pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.29	IUPAC digitized pKa	1	0	Cn1ccc(=[OH+])cc1	Cn1ccc(=O)cc1	mol3673	Cn1ccc(=O)cc1
3.33	Datawarrior	1	0	Cn1ccc(=[OH+])cc1	Cn1ccc(=O)cc1	mol3673	Cn1ccc(=O)cc1
3.3299999	OCHEM	1	0	Cn1ccc(=[OH+])cc1	Cn1ccc(=O)cc1	mol3673	Cn1ccc(=O)cc1
3.32999992370605	QSARToolbox	1	0	Cn1ccc(=[OH+])cc1	Cn1ccc(=O)cc1	mol3673	Cn1ccc(=O)cc1
3.28999996185303	QSARToolbox	1	0	Cn1ccc(=[OH+])cc1	Cn1ccc(=O)cc1	mol3673	Cn1ccc(=O)cc1